3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one

C26H20N2O4 — CID 2945586

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccncc1)c1cc2ccccc2o1
InChIInChI=1S/C26H20N2O4/c29-24(21-16-19-8-4-5-9-20(19)32-21)22-23(18-10-13-27-14-11-18)28(26(31)25(22)30)15-12-17-6-2-1-3-7-17/h1-11,13-14,16,23,30H,12,15H2
InChIKeyBWJGUVLCLNMHBE-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.65
Rot. Bonds6

About 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 2945586) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID2945586
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccncc1)c1cc2ccccc2o1
InChIInChI=1S/C26H20N2O4/c29-24(21-16-19-8-4-5-9-20(19)32-21)22-23(18-10-13-27-14-11-18)28(26(31)25(22)30)15-12-17-6-2-1-3-7-17/h1-11,13-14,16,23,30H,12,15H2
InChIKeyBWJGUVLCLNMHBE-UHFFFAOYSA-N
XLogP4.65
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one (CID 2945586) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccncc1)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is BWJGUVLCLNMHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c29-24(21-16-19-8-4-5-9-20(19)32-21)22-23(18-10-13-27-14-11-18)28(26(31)25(22)30)15-12-17-6-2-1-3-7-17/h1-11,13-14,16,23,30H,12,15H2.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 424.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2945586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).